(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate CAS Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Traditional Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C18H19NO3S MolecularWeight: 329.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C18H19NO3S/c19-17(20)16(12-7-3-1-4-8-12)22-18(21)15-11-13-9-5-2-6-10-14(13)23-15/h1,3-4,7-8,11,16H,2,5-6,9-10H2,(H2,19,20)